3LIE

Crystal Structure of the extracellular domain of the putative histidine kinase vpHK1S-Z8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Wavelength(s)	0.97921
Spacegroup name	P 21 21 2
Unit cell lengths	78.049, 114.953, 69.624
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.028 - 2.590
R-factor	0.258
Rwork	0.254
R-free	0.32600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.708
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (1.3.1)
Refinement software	REFMAC (5.5.0066)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.690
High resolution limit [Å]	2.600	5.600	2.600
Rmerge	0.077	0.072	0.355
Number of reflections	19533
<I/σ(I)>	14.2
Completeness [%]	97.7	97.1	95.9
Redundancy	4.2	4.8	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7	293	2M NaCl, 0.2M MgCl, 0.1M Tris, pH 7.0, vapor diffusion, temperature 293K